| Properties | Image |
|---|
| MNX_ID | MNXM102749 |
 |
| reference | chebi:68968 |
| formula | C37H66O7 |
| global charge | 0 |
| mol weight | 622.928 |
| InChIKey | GHKXYVAVEAMUNF-SWWNTVRDSA-N |
| InChI | InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-12-15-19-30(38)20-17-22-32(40)34-24-26-36(44-34)35-25-23-33(43-35)31(39)21-16-13-10-11-14-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30?,31+,32-,33+,34+,35+,36+/m0/s1 |
| SMILES | CCCCCCCCCCCC(O)CCC[C@H](O)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](O)CCCCCCCC3=C[C@H](C)OC3=O)O2)O1 |
MNX internals
| InChI (mnx) | InChI=1/C37H66O7/c1-3-4-5-6-7-8-9-12-15-19-30(38)20-17-22-32(40)34-24-26-36(44-34)35-25-23-33(43-35)31(39)21-16-13-10-11-14-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30?,31+,32-,33+,34+,35+,36+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:12][CH2:15][CH2:19][CH:30]([CH2:20][CH2:17][CH2:22][C@@H:32]([C@H:34]1[CH2:24][CH2:26][C@H:36]([C@H:35]2[CH2:25][CH2:23][C@H:33]([C@@H:31]([CH2:21][CH2:16][CH2:13][CH2:10][CH2:11][CH2:14][CH2:18][C:29]3=[CH:27][C@H:28]([CH3:2])[O:42][C:37]3=[O:41])[OH:39])[O:43]2)[O:44]1)[OH:40])[OH:38] |
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